SCHEMBL7304766

SCHEMBL7304766

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2ccccc2F)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CACNA1B Q00975 1/20 0.32
SCN3A Q9NY46 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7310043 0.92 EBP (0.33) EBPSIGMAR1CACNA1B
SCHEMBL7304227 0.92 CACNA1B (0.33) EBPSIGMAR1DPP4DPP8DPP9
SCHEMBL7307317 0.91 EBP (0.35) EBPSIGMAR1DPP4FAPDPP8
SCHEMBL7313956 0.91 CACNA1B (0.32) EBPSIGMAR1CACNA1B
SCHEMBL7312779 0.91 EBP (0.32) EBPSIGMAR1CACNA1B
SCHEMBL7318147 0.91 EBP (0.34) EBPSIGMAR1DPP4FAPDPP8
SCHEMBL7316991 0.90 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7319052 0.90 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7306036 0.89 EBP (0.41) EBPSIGMAR1CACNA1B
SCHEMBL7304395 0.89 EBP (0.34) EBPSIGMAR1CACNA1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed